6-bromanyl-2,4,4-trimethyl-3-(phenylsulfonylmethyl)cyclohex-2-en-1-one

Systemtic Name: 6-bromanyl-2,4,4-trimethyl-3-(phenylsulfonylmethyl)cyclohex-2-en-1-one Openeye Name: 3-(benzenesulfonylmethyl)-6-bromo-2,4,4-trimethyl-cyclohex-2-en-1-one CAS Name: 3-(benzenesulfonylmethyl)-6-bromo-2,4,4-trimethyl-1-cyclohex-2-enone IUPAC Name: 3-(benzenesulfonylmethyl)-6-bromo-2,4,4-trimethylcyclohex-2-en-1-one Traditional Name: 3-(besylmethyl)-6-bromo-2,4,4-trimethyl-cyclohex-2-en-1-one Formula: C16H19BrO3S MolecularWeight: 371.28926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(C1=O)Br)(C)C)CS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(CC(C1=O)Br)(C)C)CS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H19BrO3S/c1-11-13(16(2,3)9-14(17)15(11)18)10-21(19,20)12-7-5-4-6-8-12/h4-8,14H,9-10H2,1-3H3